Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | FYN | P06241 | 2/20 | 0.33 |
| ▸ | MMP9 | P14780 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.33 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10434614 | 0.83 | ALDH1A1 (0.43) | TRPA1ATMALDH1A1TDP1TSHR | |
| SCHEMBL2173229 | 0.77 | ALDH1A1 (0.46) | TRPA1ATMALDH1A1TDP1TSHR | |
| SCHEMBL8388477 | 0.75 | TSHR (0.46) | TRPA1ATMALDH1A1TDP1TSHR | |
| SCHEMBL419708 | 0.69 | ALDH1A1 (0.52) | TRPA1ATMALDH1A1TDP1TSHR | |
| SCHEMBL18545944 | 0.67 | TRPA1 (0.46) | TRPA1ATMALDH1A1TDP1TSHR | |
| SCHEMBL2729698 | 0.67 | TRPA1 (0.46) | TRPA1ATMALDH1A1TDP1TSHR | |
| SCHEMBL312843 | 0.67 | ALDH1A1 (0.38) | ALDH1A1TDP1TSHRALOX15CA2 | |
| SCHEMBL7990103 | 0.66 | — | — | |
| SCHEMBL931847 | 0.65 | TSHR (0.48) | TRPA1ATMALDH1A1TDP1TSHR | |
| SCHEMBL10692638 | 0.65 | CA2 (0.50) | TRPA1ATMALDH1A1TDP1TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1121363-A2 | 6-SUBSTITUTED PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-08-08 | — | — | EP | claimed |
| WO-2000021926-A2 | 6-SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-04-20 | — | — | WO | claimed |